10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

C64H42N2O2Si — CID 147336789

About 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (PubChem CID 147336789) has the molecular formula C64H42N2O2Si and a molecular weight of 899.14 g/mol. Its IUPAC name is 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.

Molecular Properties

• Compound Name: 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
• PubChem CID: 147336789
• Molecular Formula: C64H42N2O2Si
• Molecular Weight: 899.14 g/mol
• Exact Mass: 898.30
• IUPAC Name: 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)[Si](c3ccc5c(c3)oc3ccccc35)(c3ccc5c(c3)oc3ccccc35)c3ccccc3N4c3ccccc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C64H42N2O2Si/c1-3-16-43(17-4-1)44-30-32-47(33-31-44)65(56-26-15-19-45-18-7-8-22-51(45)56)48-34-39-58-64(40-48)69(49-35-37-54-52-23-9-12-27-59(52)67-61(54)41-49,50-36-38-55-53-24-10-13-28-60(53)68-62(55)42-50)63-29-14-11-25-57(63)66(58)46-20-5-2-6-21-46/h1-42H
• InChIKey: DCSBCNBIZFRANF-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.14
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The IUPAC name of 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (CID 147336789) is 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.

What is the SMILES notation for 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The canonical SMILES for 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)[Si](c3ccc5c(c3)oc3ccccc35)(c3ccc5c(c3)oc3ccccc35)c3ccccc3N4c3ccccc3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The InChIKey is DCSBCNBIZFRANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O2Si/c1-3-16-43(17-4-1)44-30-32-47(33-31-44)65(56-26-15-19-45-18-7-8-22-51(45)56)48-34-39-58-64(40-48)69(49-35-37-54-52-23-9-12-27-59(52)67-61(54)41-49,50-36-38-55-53-24-10-13-28-60(53)68-62(55)42-50)63-29-14-11-25-57(63)66(58)46-20-5-2-6-21-46/h1-42H.

What are the key properties of 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine has a molecular weight of 899.14 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is sourced from PubChem (CID 147336789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).